5,6,11,12-Tetraphenylnaphthacene

Catalog Number

ACM517511-3

CAS

517-51-1

IUPAC Name

5,6,11,12-tetraphenyltetracene

Synonyms

Rubrene

Molecular Weight

532.69

Molecular Formula

C42H28

Product Information

Canonical SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Inchi

InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H

InChIKey

YYMBJDOZVAITBP-UHFFFAOYSA-N

Melting Point

331 °C

Purity

>98.0%GC

Appearance

Light yellow to Brown powder to crystal

storage

Store under inert gas

Complexity

696

Condition To Avoid

Air Sensitive

Hazard Statements

H413 : May cause long lasting harmful effects to aquatic life.

Heavy Atom Count

MDL Number

MFCD00003703

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.

Reaxys Registry Number

1917339

Rotatable Bond Count

Signal Word

Warning

Monoisotopic Mass

532.219101g/mol

Exact Mass

532.219101g/mol

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5,6,11,12-Tetraphenylnaphthacene

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